4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide

C18H29N3O — CID 119884570

IUPAC4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
SMILESCC(NC1(CNC(=O)CCCN)CCCC1)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-15(16-8-3-2-4-9-16)21-18(11-5-6-12-18)14-20-17(22)10-7-13-19/h2-4,8-9,15,21H,5-7,10-14,19H2,1H3,(H,20,22)
InChIKeyFHXZGOGEVKLZKJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.51
Rot. Bonds8

About 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide

4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide (PubChem CID 119884570) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
PubChem CID119884570
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
SMILESCC(NC1(CNC(=O)CCCN)CCCC1)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-15(16-8-3-2-4-9-16)21-18(11-5-6-12-18)14-20-17(22)10-7-13-19/h2-4,8-9,15,21H,5-7,10-14,19H2,1H3,(H,20,22)
InChIKeyFHXZGOGEVKLZKJ-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
CID 120613142
2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
CID 124625809
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646720
N-[3-oxo-3-[[4-(1-phenylethylamino)oxan-4-yl]methylamino]propyl]cyclohexanecarboxamide
CID 86947103
(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide
CID 95618458
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119884554
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884553
1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
CID 120646718

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide (CID 119884570) is 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide is CC(NC1(CNC(=O)CCCN)CCCC1)c1ccccc1.
What is the InChIKey of 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide?
The InChIKey is FHXZGOGEVKLZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(16-8-3-2-4-9-16)21-18(11-5-6-12-18)14-20-17(22)10-7-13-19/h2-4,8-9,15,21H,5-7,10-14,19H2,1H3,(H,20,22).
What are the key properties of 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide?
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide has a molecular weight of 303.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide is sourced from PubChem (CID 119884570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).